(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

C21H15ClN4O4S — CID 135712087

IUPAC(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H15ClN4O4S/c22-15-6-4-14(5-7-15)18-9-8-17(30-18)12-23-25-21-24-20(27)19(31-21)11-13-2-1-3-16(10-13)26(28)29/h1-10,12,19H,11H2,(H,24,25,27)/b23-12+
InChIKeyCCLUNJKDXJQLBK-FSJBWODESA-N
MW454.90 g/mol
LogP4.67
Rot. Bonds6

About (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135712087) has the molecular formula C21H15ClN4O4S and a molecular weight of 454.90 g/mol. Its IUPAC name is (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135712087
Molecular FormulaC21H15ClN4O4S
Molecular Weight454.90 g/mol
Exact Mass454.05
IUPAC Name(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H15ClN4O4S/c22-15-6-4-14(5-7-15)18-9-8-17(30-18)12-23-25-21-24-20(27)19(31-21)11-13-2-1-3-16(10-13)26(28)29/h1-10,12,19H,11H2,(H,24,25,27)/b23-12+
InChIKeyCCLUNJKDXJQLBK-FSJBWODESA-N
XLogP4.67
TPSA110.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135645347
(2E,5S)-2-[(Z)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135780067
2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 137179474
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135850163
2-[(2Z)-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135599638
(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135815356
(2E,5S)-5-[(3-chlorophenyl)methyl]-2-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136755697
2-[(2Z,5R)-2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135591637
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
(2Z)-2-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135451255

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (CID 135712087) is (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CCLUNJKDXJQLBK-FSJBWODESA-N. The full InChI is InChI=1S/C21H15ClN4O4S/c22-15-6-4-14(5-7-15)18-9-8-17(30-18)12-23-25-21-24-20(27)19(31-21)11-13-2-1-3-16(10-13)26(28)29/h1-10,12,19H,11H2,(H,24,25,27)/b23-12+.
What are the key properties of (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 454.90 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).